Details of the Drug

General Information of Drug (ID: DM3UMYD)

• Drug Name: 2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine
• Synonyms: 2-(2-hydroxy-phenyl)-1h-indole-5-carboxamidine; amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methaniminium; AC1L1BMI; BDBM13942; CTK8A0256; APC-8328; DB02463; [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 252.29
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C15H14N3O+
  IUPAC Name: [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium
  Canonical SMILES: C1=CC=C(C(=C1)C2=CC3=C(N2)C=CC(=C3)C(=[NH2+])N)O
  InChI: InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1
  InChIKey: JPGNPKIYCTXJPG-UHFFFAOYSA-O
• Cross-matching ID:
  PubChem CID: 1507
  DrugBank ID: DB02463
  TTD ID: D08OLP
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• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cationic trypsinogen (PRSS1)	TT2WR1T	TRY1_HUMAN	Inhibitor	[1]
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]
Plasminogen (PLG)	TTP86E2	PLMN_HUMAN	Inhibitor	[1]
Tissue-type plasminogen activator (PLAT)	TTXAGYU	TPA_HUMAN	Inhibitor	[1]
Urokinase-type plasminogen activator (PLAU)	TTGY7WI	UROK_HUMAN	Inhibitor	[1]

References

• [1] Development of serine protease inhibitors displaying a multicentered short (<2.3 A) hydrogen bond binding mode: inhibitors of urokinase-type plasmi... J Med Chem. 2001 Aug 16;44(17):2753-71.